2-ethanoylsulfanyl-4-(2-methylphenyl)butanoic acid

Systemtic Name: 2-ethanoylsulfanyl-4-(2-methylphenyl)butanoic acid Openeye Name: 2-acetylsulfanyl-4-(o-tolyl)butanoic acid CAS Name: 2-(acetylthio)-4-(2-methylphenyl)butanoic acid IUPAC Name: 2-acetylsulfanyl-4-(2-methylphenyl)butanoic acid Traditional Name: 2-(acetylthio)-4-(o-tolyl)butyric acid Formula: C13H16O3S MolecularWeight: 252.32934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CCC(C(=O)O)SC(=O)C

Isomeric SMILES

CC1=CC=CC=C1CCC(C(=O)O)SC(=O)C

InChI

InChI=1S/C13H16O3S/c1-9-5-3-4-6-11(9)7-8-12(13(15)16)17-10(2)14/h3-6,12H,7-8H2,1-2H3,(H,15,16)